CID 5473575

1-penten-3-one, 5-(dimethylamino)-1-phenyl-, hydrochloride

Structural Information

Molecular Formula
C13H17NO
SMILES
CN(C)CCC(=O)/C=C/C1=CC=CC=C1
InChI
InChI=1S/C13H17NO/c1-14(2)11-10-13(15)9-8-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3/b9-8+
InChIKey
JLWRSVWWZYOKTL-CMDGGOBGSA-N
Compound name
(E)-5-(dimethylamino)-1-phenylpent-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

203.13101 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.138286 147.8
[M+Na]+ 226.120228 153.2
[M-H]- 202.123734 152.2
[M+NH4]+ 221.164833 167.1
[M+K]+ 242.094168 151.4
[M+H-H2O]+ 186.128270 141.0
[M+HCOO]- 248.129211 172.2
[M+CH3COO]- 262.144861 192.2
[M+Na-2H]- 224.105676 152.2
[M]+ 203.13046142 149.0
[M]- 203.13155858 149.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe